UCSF

ZINC38000939

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 4.12 -35.32 4 4 1 69 314.203 6
Mid Mid (pH 6-8) 2.08 3.04 -8.54 3 4 0 64 313.195 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )